Found 6 results

Search term: MF = 'C_{27}H_{28}Cl_{2}N_{2}'
ChemSpider 2D Image | 1-{(3-endo)-8-[Bis(2-chlorophenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]oct-3-yl}methanamine | C27H28Cl2N2

1-{(3-endo)-8-[Bis(2-chlorophenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]oct-3-yl}methanamine

  • Molecular FormulaC27H28Cl2N2
  • Average mass451.431 Da
  • Monoisotopic mass450.162964 Da
  • ChemSpider ID58131495

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-{(3-endo)-8-[Bis(2-chlorophenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]oct-3-yl}methanamine [ACD/IUPAC Name]
1-{(3-endo)-8-[Bis(2-chlorophényl)méthyl]-3-phényl-8-azabicyclo[3.2.1]oct-3-yl}méthanamine [French] [ACD/IUPAC Name]
1-{(3-endo)-8-[Bis(2-chlorphenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]oct-3-yl}methanamin [German] [ACD/IUPAC Name]
8-Azabicyclo[3.2.1]octane-3-methanamine, 8-[bis(2-chlorophenyl)methyl]-3-phenyl-, (3-endo)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3349273/

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 547.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.7±3.0 kJ/mol
Flash Point: 284.8±30.1 °C
Index of Refraction: 1.625
Molar Refractivity: 129.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.91
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 1.37
ACD/KOC (pH 5.5): 3.06
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 16.78
ACD/KOC (pH 7.4): 37.43
Polar Surface Area: 29 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 367.4±3.0 cm3

Click to predict properties on the Chemicalize site


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